3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid

Systemtic Name: 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid Openeye Name: 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-4-piperidyl]carbamoyl]benzoic acid CAS Name: 3-[[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-4-piperidinyl]amino]-oxomethyl]benzoic acid IUPAC Name: 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid Traditional Name: 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-4-piperidyl]carbamoyl]benzoic acid Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CC(N1OC(C)C2=CC=CC=C2)(C)C)NC(=O)C3=CC(=CC=C3)C(=O)O)CC

Isomeric SMILES

CCC1(CC(CC(N1OC(C)C2=CC=CC=C2)(C)C)NC(=O)C3=CC(=CC=C3)C(=O)O)CC

InChI

InChI=1S/C27H36N2O4/c1-6-27(7-2)18-23(28-24(30)21-14-11-15-22(16-21)25(31)32)17-26(4,5)29(27)33-19(3)20-12-9-8-10-13-20/h8-16,19,23H,6-7,17-18H2,1-5H3,(H,28,30)(H,31,32)